5-(2-(7-isopropyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)pyrimidine-2,4,6(1H,3H,5H)-trione
TL;DR: 5-(2-(7-isopropyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 476481-73-9) is a chemical compound with molecular formula C13H14N8O5 and molecular weight 362.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-3-methyl-7-propan-2-ylpurine-2,6-dione
Also Known As: 5-(2-(7-isopropyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)pyrimidine-2,4,6(1H,3H,5H)-trione, (5Z)-6-hydroxy-5-{2-[6-hydroxy-3-methyl-2-oxo-7-(propan-2-yl)-3,7-dihydro-2H-purin-8-yl]hydrazinylidene}pyrimidine-2,4(3H,5H)-dione, 5-[(3-methyl-2,6-dioxo-7-propan-2-yl-purin-8-yl)hydrazinylidene]-1,3-diazinane-2,4,6-trione, 5-[(3-methyl-2,6-dioxo-7-propan-2-ylpurin-8-yl)hydrazinylidene]-1,3-diazinane-2,4,6-trione
| Molecular Formula | C13H14N8O5 |
|---|---|
| Molecular Weight | 362.11 g/mol |
| LogP | -0.4982 |
| Topological Polar Surface Area | 183.35 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 362.1087 |
| Heavy Atoms | 26 |
| Complexity | 1268.8873 |
Chemical Identifiers
| CAS Number | 476481-73-9 |
|---|---|
| SMILES | CC(C)N1C2=C(N=C1N=NC3=C(NC(=O)NC3=O)O)N(C(=O)NC2=O)C |
Product Overview
5-(2-(7-isopropyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 476481-73-9), with molecular formula C13H14N8O5 and molecular weight 362.11 g/mol. IUPAC: 8-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-3-methyl-7-propan-2-ylpurine-2,6-dione.
Chemical Property Profile of 5-(2-(7-isopropyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)pyrimidine-2,4,6(1H,3H,5H)-trione
Property Insights of 5-(2-(7-isopropyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)pyrimidine-2,4,6(1H,3H,5H)-trione
The XLogP value of -0.4982 indicates that 5-(2-(7-isopropyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)pyrimidine-2,4,6(1H,3H,5H)-trione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 183.35 Ų indicates high polarity, suggesting 5-(2-(7-isopropyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)pyrimidine-2,4,6(1H,3H,5H)-trione may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-(2-(7-isopropyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)pyrimidine-2,4,6(1H,3H,5H)-trione has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-(2-(7-isopropyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)pyrimidine-2,4,6(1H,3H,5H)-trione?
The CAS number of 5-(2-(7-isopropyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)pyrimidine-2,4,6(1H,3H,5H)-trione is 476481-73-9.
What is the molecular formula of 5-(2-(7-isopropyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular formula of 5-(2-(7-isopropyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)pyrimidine-2,4,6(1H,3H,5H)-trione is C13H14N8O5.
What is the molecular weight of 5-(2-(7-isopropyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular weight of 5-(2-(7-isopropyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)pyrimidine-2,4,6(1H,3H,5H)-trione is 362.11 g/mol.
Where can I buy 5-(2-(7-isopropyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)pyrimidine-2,4,6(1H,3H,5H)-trione?
You can request a quote for 5-(2-(7-isopropyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)pyrimidine-2,4,6(1H,3H,5H)-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2-(7-isopropyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)pyrimidine-2,4,6(1H,3H,5H)-trione?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-(7-isopropyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)pyrimidine-2,4,6(1H,3H,5H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.